Monomers
3-Methylene-1-(1-naphthyl)pyrrolidine-2,5-dione
Identifiers
IUPAC name
3-methylidene-1-naphthalen-1-ylpyrrolidine-2,5-dione
InchI
InChI=1S/C15H11NO2/c1-10-9-14(17)16(15(10)18)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,1,9H2
InchI Key
CNVHXNIIBYAYBA-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)c1cccc2c1cccc2
Canonical SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC3=CC=CC=C32
Isomeric SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC3=CC=CC=C32
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H11NO2
Heavy Atom Count
18
Molecular Weight
237.258
Exact Molecular Weight
237.079
Valence Electrons
88
Radical Electrons
0
tPSA
37.38
MolLogP
2.6593
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
2
MOL File
RDKit 3D
29 31 0 0 0 0 0 0 0 0999 V2000
-4.6502 0.2330 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3416 0.3642 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6296 1.4917 -0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3894 1.5581 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7737 2.6272 0.4708 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0570 0.2215 0.4575 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2678 -0.5495 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4338 -1.7841 0.5597 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2158 -0.2856 0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4222 -0.8515 2.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6561 -1.3333 2.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6991 -1.2666 1.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5206 -0.7058 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2756 -0.2124 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0731 0.3516 -1.3508 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0895 0.4340 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3270 -0.0585 -1.9168 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5553 -0.6291 -0.6776 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0994 -0.6014 0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2879 1.0115 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1904 2.4529 -0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3691 1.2449 -1.7595 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4121 -0.8873 2.7384 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8125 -1.7841 3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6739 -1.6479 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0627 0.7200 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8606 0.8948 -3.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1383 0.0087 -2.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5196 -1.0170 -0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
7 2 1 0
14 9 1 0
18 13 1 0
1 19 1 0
1 20 1 0
3 21 1 0
3 22 1 0
10 23 1 0
11 24 1 0
12 25 1 0
15 26 1 0
16 27 1 0
17 28 1 0
18 29 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers